SCHEMBL23843380

SCHEMBL23843380

CC(C)(C)OC(=O)CCCN1C(=O)c2cccc3c(Br)ccc(c23)C1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.60
▸ POLB P06746 2/20 0.60
▸ KDM4E B2RXH2 1/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ NPC1 O15118 1/20 0.60
▸ LMNA P02545 1/20 0.60
▸ MAPT P10636 1/20 0.60
▸ PABPC1 P11940 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ CYP1B1 Q16678 14/20 0.58
▸ HDAC1 Q13547 2/20 0.52
▸ HDAC6 Q9UBN7 2/20 0.52
▸ HDAC3 O15379 1/20 0.52
▸ HDAC4 P56524 1/20 0.52
▸ HDAC7 Q8WUI4 1/20 0.52
▸ HDAC2 Q92769 1/20 0.52
▸ HDAC10 Q969S8 1/20 0.52
▸ HDAC11 Q96DB2 1/20 0.52
▸ HDAC8 Q9BY41 1/20 0.52
▸ HDAC9 Q9UKV0 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3853303 0.82 CYP1B1 (0.69) ALDH1A1POLBKDM4EMEN1NPC1
SCHEMBL12638925 0.82 KMT2A (0.61) ALDH1A1MEN1LMNAMAPTKMT2A
SCHEMBL23843532 0.81 HDAC1 (0.49) ALDH1A1POLBKDM4EMEN1NPC1
SCHEMBL3253838 0.81 CYP1B1 (0.57) ALDH1A1POLBKDM4EMEN1NPC1
SCHEMBL23843378 0.80 POLB (0.47) ALDH1A1POLBKDM4EMEN1NPC1
SCHEMBL24345544 0.80 CYP1B1 (0.55) ALDH1A1POLBKDM4EMEN1NPC1
SCHEMBL30149981 0.79 CYP1B1 (0.52) ALDH1A1POLBKDM4EMEN1NPC1
SCHEMBL28942809 0.79 CYP1B1 (0.52) ALDH1A1POLBKDM4EMEN1NPC1
SCHEMBL3773566 0.78 POLB (0.74) ALDH1A1POLBKDM4EMEN1NPC1
SCHEMBL30499259 0.78 POLB (0.74) ALDH1A1POLBKDM4EMEN1NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021188392-A1 BORON-CONTAINING CYCLIC EMISSIVE COMPOUNDS AND COLOR CONVERSION FILM CONTAINING THE SAME NITTO DENKO CORPORATION (JP) 2021-09-23 — — WO disclosed
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